SCHEMBL8505366

SCHEMBL8505366

CC(O)N(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
PTGS1 P23219 2/20 0.50
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
APP P05067 1/20 0.49
FBP1 P09467 2/20 0.47
CYP19A1 P11511 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8422913 0.86 PTGS2 (0.51) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL9578278 0.82 MMP14 (0.53) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL2781317 0.81 PTGS2 (0.50) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL531104 0.80 MAPT (0.66) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL531105 0.80 MAPT (0.66) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL16141098 0.80 MAPT (0.66) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL8527932 0.80 MEN1 (0.44) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL3038695 0.78 MAPT (0.57) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL3038698 0.78 MAPT (0.57) PTGS2PTGS1MAPTRAB9ANPC1
SCHEMBL9773217 0.77 PTGS2 (0.43) PTGS2PTGS1MAPTRAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889131-A HEAT RESISTANCE, TRANSPARENCY AND MELT PROCESSABILITY; THIN FILMS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1999-03-30 US disclosed